6,7,10-trimethyl-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6,7,10-trimethyl-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6,7,10-trimethyl-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6,7,10-trimethyl-N-phenethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6,7,10-trimethyl-N-phenethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6,7,10-trimethyl-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H24N2OS MolecularWeight: 400.53586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC3=C(C=CC(=C3)C(=O)NCCC4=CC=CC=C4)SC2=C(C=C1)C)C

Isomeric SMILES

CC1=C2C(=NC3=C(C=CC(=C3)C(=O)NCCC4=CC=CC=C4)SC2=C(C=C1)C)C

InChI

InChI=1S/C25H24N2OS/c1-16-9-10-17(2)24-23(16)18(3)27-21-15-20(11-12-22(21)29-24)25(28)26-14-13-19-7-5-4-6-8-19/h4-12,15H,13-14H2,1-3H3,(H,26,28)